About 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167582380) has the molecular formula C145H112Cl6F2N34O8
and a molecular weight of 2709.43 g/mol. Its IUPAC name is 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
Frequently Asked Questions
What is the IUPAC name of 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167582380) is 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Cc1nn(C)c2cc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12.Cc1nn(C)c2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc12.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(Cl)=C(c3ccc4c(c3)OCCC4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC(F)=C(c3ccc4c(c3)OCCC4)C1)C1CC21.O=c1cc(-c2cc(Cl)ccc2-n2cnnn2)cc2n1C(C1=NC=C(c3ccc4c(c3)OCCC4)C1)C1CC21.
What is the InChIKey of 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is HIQBVTTWJULCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Cl2N6O2.C29H22ClFN8O.C29H22ClFN6O2.C29H23ClN8O.C29H23ClN6O2/c30-18-5-6-24(36-14-32-34-35-36)19(11-18)17-8-25-21-12-22(21)28(37(25)27(38)10-17)23-13-20(29(31)33-23)16-4-3-15-2-1-7-39-26(15)9-16;1-14-18-5-3-15(7-25(18)37(2)34-14)20-12-23(33-29(20)31)28-22-11-21(22)26-8-16(9-27(40)39(26)28)19-10-17(30)4-6-24(19)38-13-32-35-36-38;30-18-5-6-24(36-14-32-34-35-36)19(11-18)17-8-25-21-12-22(21)28(37(25)27(38)10-17)23-13-20(29(31)33-23)16-4-3-15-2-1-7-39-26(15)9-16;1-15-20-5-3-16(8-26(20)36(2)33-15)18-7-24(31-13-18)29-23-12-22(23)27-9-17(10-28(39)38(27)29)21-11-19(30)4-6-25(21)37-14-32-34-35-37;30-20-5-6-25(35-15-32-33-34-35)21(12-20)18-9-26-22-13-23(22)29(36(26)28(37)11-18)24-8-19(14-31-24)17-4-3-16-2-1-7-38-27(16)10-17/h3-6,8-11,14,21-22,28H,1-2,7,12-13H2;3-10,13,21-22,28H,11-12H2,1-2H3;3-6,8-11,14,21-22,28H,1-2,7,12-13H2;3-6,8-11,13-14,22-23,29H,7,12H2,1-2H3;3-6,9-12,14-15,22-23,29H,1-2,7-8,13H2.
What are the key properties of 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 2709.43 g/mol, XLogP of 25.97, 20 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,4-dihydro-2H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167582380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).